Results 181 to 190 of about 185,392 (314)

Orbital Geometry‐Governed Response of Pressure‐Tunable Quantum Defects in hBN

Advanced Functional Materials, EarlyView.
Defects in hBN act as ultrasensitive quantum manometers when the energy of the intradefect optical transitions is modified by lattice compression. The orbital geometry of the electron wave functions governs how electron hopping and Coulomb interactions react uniquely to the reduction of the van der Waals gap and in‐plane compression, leading to robust ...
Magdalena Grzeszczyk, Danis I. Badrtdinov, Kenji Watanabe, Takashi Taniguchi, Cyrus E. Dreyer, Malte Rösner, Maciej Koperski   +6 more
wiley   +1 more source

Calculation of Valence Subband Structures for Strained Quantum-Wells by Plane Wave Expansion Method Within 6 * 6 Luttinger-Kohn Model

, 2002
The valence subband energies and wave functions of a tensile strained quantum well are calculated by the plane wave expansion method within the 6 * 6 Luttinger-Kohn model.
Guo Weihua, Huang Yongzhen
core  

Algorithmic differentiation for plane-wave DFT: materials design, error control and learning model parameters. [PDF]

NPJ Comput Mater
Schmitz NF, Ploumhans B, Herbst MF.
europepmc   +1 more source

Dynamical plane wave solutions for the Heisenberg model of ferromagnetic spin chains with beta derivative evolution and obliqueness. [PDF]

Heliyon, 2022
Uddin MF, Hafez MG, Iqbal SA.
europepmc   +1 more source

Titanium Suboxides Responsible for Electronic Anomaly Near Room Temperature in the Ti3C2Tx MXene

Advanced Functional Materials, EarlyView.
Our multi‐technique study reveals that the near‐room‐temperature anomaly in Ti3C2Tx MXene is linked to titanium suboxide nanodomains, including Ti3O5, embedded within the MXene host. Their temperature‐driven transformation provides an alternative explanation to solvent‐ and swelling‐based models and offers new insight into the thermally activated ...
Bence G. Márkus, Bradlee J. McIntosh, Lili Vajtai, Anna Nyáry, Sándor H. Sipos, Nirmal J. Ghimire, Ferenc Simon, László Forró, Dávid Beke   +8 more
wiley   +1 more source

Application of plane wave method to the calculation of electronic states of nano-structures

, 2006
The electronic states of nano-structures are studied in the framework of effective-mass envelope-function theory using the plane wave basis. The barrier width and the number of plane waves are proposed to be 2.5 times the effective Bohr radius and 15(n),
Xia JB (Xia Jian-Bai), Li SS (Li Shu-Shen), Li, SS, Chinese Acad Sci, Inst Semicond, State Key Lab Superlattices & Microstruct, POB 912, Beijing 100083, Peoples R China. E-mail: sslee@red.semi.ac.cn   +2 more
core  

Unified linear-concave transducer enabling 100 Hz plane-wave ultrasound and photoacoustic dynamic imaging. [PDF]

Biomed Opt Express
Song S, Hu X, Yang B, Xu H, Yao J, Cui Y, Zhang Y.   +6 more
europepmc   +1 more source

Negative optical force field on supercavitating titanium nitride nanoparticles by a single plane wave. [PDF]

Nanophotonics, 2022
Lee E, Luo T.
europepmc   +1 more source

Electrode and Microstructure Dependence of Oxygen Diffusion in Ferroelectric Hafnium Zirconium Oxide Thin Films

Advanced Functional Materials, EarlyView.
Significant nanoscale oxygen diffusion coefficient variations are measured in ferroelectric hafnium zirconium oxide films with grain boundaries and electrode interfaces exhibiting values 104 times larger than the grain cores. Overall coefficients are 10X larger for films prepared with metal nitride electrodes compared to refractory metals. New insights
Liron Shvilberg, Thomas W. Pfeifer, Chuanzhen Zhou, Yong Kyu Choi, Duk‐Hyun Choe, Patrick E. Hopkins, Jon F. Ihlefeld   +6 more
wiley   +1 more source

Spin-Flip TDDFT within the Sternheimer Formulation: A Gaussian and Plane Wave Implementation. [PDF]

J Phys Chem A
Hernandez-Segura LI, Luber S.
europepmc   +1 more source